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SMILES: CCOC(=O)CSc1nc(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c(C#N)c(n1)-c1ccc(F)cc1

InChI Key: InChIKey=ONUSZALGKSAWRL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50291874   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))		BDBM50291874
PNG
(CHEMBL4159805)
Show SMILES CCOC(=O)CSc1nc(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c(C#N)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H20FN5O5S/c1-2-39-24(36)15-41-29-34-25(16-3-8-19(30)9-4-16)21(14-31)27(35-29)40-20-10-5-17(6-11-20)26-32-22-12-7-18(28(37)38)13-23(22)33-26/h3-13H,2,15H2,1H3,(H,32,33)(H,37,38)
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Similars
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) assessed as decrease in Cdc25C phosphorylation at Ser216 by ELISA based spectrophotometric analysis

Eur J Med Chem 146: 687-708 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.072
BindingDB Entry DOI: 10.7270/Q2TQ643K
More data for this
Ligand-Target Pair